[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C26H24ClN3O2S MolecularWeight: 478.00566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClN3O2S/c27-20-13-14-23(22(17-20)25(32)19-9-3-1-4-10-19)29-24(31)18-33-26(30-15-7-8-16-30)28-21-11-5-2-6-12-21/h1-6,9-14,17H,7-8,15-16,18H2,(H,29,31)